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Substance Name: 4-Piperidinecarbonitrile, 1-(6,7-dihydro-7-methyl-6-oxo-5H-pyrrolo(2,3-d)pyrimidin-2-yl)-, monohydrochloride
RN: 122113-22-8
InChIKey: LPMCYBUTTXOLPX-UHFFFAOYSA-N

Classification Code

  • Drug / Therapeutic Agent

Molecular Formula

  • C13-H15-N5-O.Cl-H

Molecular Weight

  • 293.7564
 
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Names and Synonyms

  • 4-Piperidinecarbonitrile, 1-(6,7-dihydro-7-methyl-6-oxo-5H-pyrrolo(2,3-d)pyrimidin-2-yl)-, monohydrochloride

Registry Numbers

CAS Registry Number

  • 122113-22-8

System Generated Number

  • 0122113228

Molecular Formulas

Molecular Formula

  • C13-H15-N5-O.Cl-H

Molecular Formula Fragments

  • C13-H15-N5-O
  • Cl-H
  • COMPONENT

Structure Descriptors

InChI

1S/C13H15N5O.ClH/c1-17-11(19)6-10-8-15-13(16-12(10)17)18-4-2-9(7-14)3-5-18;/h8-9H,2-6H2,1H3;1H

InChIKey

LPMCYBUTTXOLPX-UHFFFAOYSA-N

Smiles

CN1c2c(cnc(n2)N3CCC(CC3)C#N)CC1=O.Cl

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD50 intraperitoneal 500mg/kg (500mg/kg)   United States Patent Document. Vol. #5304555,